REMARK Name = BDB004788 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.479 0.858 1.340 0.00 0.00 +0.099 C ATOM 2 C LIG 1 -1.934 1.615 2.591 0.00 0.00 +0.033 C ENDROOT BRANCH 1 5 ATOM 3 C LIG 1 2.148 1.304 0.153 0.00 0.00 +0.034 A ATOM 4 C LIG 1 0.975 0.750 0.689 0.00 0.00 +0.028 A ATOM 5 C LIG 1 -0.219 1.491 0.759 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -0.221 2.806 0.271 0.00 0.00 +0.005 A ATOM 7 C LIG 1 0.939 3.361 -0.266 0.00 0.00 +0.002 A ATOM 8 C LIG 1 2.117 2.613 -0.326 0.00 0.00 +0.023 A BRANCH 3 10 ATOM 9 C LIG 1 4.567 0.831 -0.288 0.00 0.00 +0.248 C ATOM 10 N LIG 1 3.294 0.480 0.122 0.00 0.00 -0.281 N ATOM 11 H LIG 1 3.176 -0.446 0.511 0.00 0.00 +0.155 HD ATOM 12 O LIG 1 4.950 1.939 -0.642 0.00 0.00 -0.270 OA BRANCH 9 19 ATOM 13 C LIG 1 9.272 -0.615 0.568 0.00 0.00 +0.045 C ATOM 14 C LIG 1 7.868 -0.977 0.170 0.00 0.00 -0.031 A ATOM 15 C LIG 1 7.503 -2.291 -0.158 0.00 0.00 +0.044 A ATOM 16 CL LIG 1 8.648 -3.584 -0.118 0.00 0.00 -0.083 Cl ATOM 17 C LIG 1 6.191 -2.593 -0.539 0.00 0.00 +0.021 A ATOM 18 C LIG 1 5.222 -1.589 -0.588 0.00 0.00 +0.014 A ATOM 19 C LIG 1 5.565 -0.276 -0.246 0.00 0.00 +0.037 A ATOM 20 C LIG 1 6.885 0.027 0.116 0.00 0.00 +0.017 A ENDBRANCH 9 19 ENDBRANCH 3 10 ENDBRANCH 1 5 BRANCH 1 21 ATOM 21 N LIG 1 -2.521 0.885 0.308 0.00 0.00 -0.322 N ATOM 22 H LIG 1 -2.112 0.765 -0.616 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 -3.582 -0.037 0.435 0.00 0.00 +0.130 A ATOM 24 C LIG 1 -4.624 -0.023 -0.516 0.00 0.00 +0.041 A ATOM 25 C LIG 1 -5.645 -0.980 -0.351 0.00 0.00 +0.088 A ATOM 26 C LIG 1 -6.689 -0.990 -1.301 0.00 0.00 +0.063 A ATOM 27 C LIG 1 -6.718 -0.071 -2.369 0.00 0.00 +0.015 A ATOM 28 C LIG 1 -5.717 0.876 -2.512 0.00 0.00 +0.002 A ATOM 29 N LIG 1 -5.607 -1.844 0.688 0.00 0.00 -0.235 NA ATOM 30 C LIG 1 -4.584 -1.751 1.545 0.00 0.00 +0.223 A ATOM 31 C LIG 1 -4.680 0.901 -1.591 0.00 0.00 +0.013 A ATOM 32 N LIG 1 -3.570 -0.892 1.468 0.00 0.00 -0.220 NA BRANCH 26 33 ATOM 33 C LIG 1 -7.832 -1.956 -1.254 0.00 0.00 +0.244 C ATOM 34 O LIG 1 -8.722 -1.940 -2.098 0.00 0.00 -0.270 OA ATOM 35 N LIG 1 -7.871 -2.870 -0.244 0.00 0.00 -0.325 N ATOM 36 H LIG 1 -7.152 -2.887 0.473 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 -8.646 -3.515 -0.196 0.00 0.00 +0.145 HD ENDBRANCH 26 33 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 6